3-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(2-dodecoxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(2-lauryloxy-1H-pyrazolo[1,5-a]benzimidazol-3-yl)thio]propionic acid Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C2=NC3=CC=CC=C3N2N1)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C2=NC3=CC=CC=C3N2N1)SCCC(=O)O

InChI

InChI=1S/C24H35N3O3S/c1-2-3-4-5-6-7-8-9-10-13-17-30-24-22(31-18-16-21(28)29)23-25-19-14-11-12-15-20(19)27(23)26-24/h11-12,14-15,26H,2-10,13,16-18H2,1H3,(H,28,29)